N-Methyl-5-Allyl-5-Isopropylbarbituric Acid

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Properties Simple | Detailed

Formula C11H16N2O3
IUPAC Name (5s)-5-allyl-5-isopropyl-1-methyl-hexahydropyrimidine-2,4,6-trione
Molecular Mass 224.256 g·mol−1
Heat of Formation -558.2 ± 16.7 kJ·mol−1
Dipole Moment 1.76 ± 1.08 D
Volume 274.2 Å 3
Surface Area 236.51 Å 2
HOMO Energy -10.50 ± 0.55 eV
LUMO Energy 2.72 ± eV
Point Group Symmetry C1
InChIKey AXJXURWWUFZZKN-NSHDSACASA-N
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